N-[2-methyl-5-(methylamino)hexa-1,3,5-trien-3-yl]propanamide

C11H18N2O — CID 177002203

IUPACN-[2-methyl-5-(methylamino)hexa-1,3,5-trien-3-yl]propanamide
SMILESC=C(C=C(NC(=O)CC)C(=C)C)NC
InChIInChI=1S/C11H18N2O/c1-6-11(14)13-10(8(2)3)7-9(4)12-5/h7,12H,2,4,6H2,1,3,5H3,(H,13,14)
InChIKeyYLULWIKAUDBYAQ-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.71
Rot. Bonds5

About N-[2-methyl-5-(methylamino)hexa-1,3,5-trien-3-yl]propanamide

N-[2-methyl-5-(methylamino)hexa-1,3,5-trien-3-yl]propanamide (PubChem CID 177002203) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-[2-methyl-5-(methylamino)hexa-1,3,5-trien-3-yl]propanamide.

Molecular Properties

Compound NameN-[2-methyl-5-(methylamino)hexa-1,3,5-trien-3-yl]propanamide
PubChem CID177002203
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-[2-methyl-5-(methylamino)hexa-1,3,5-trien-3-yl]propanamide
SMILESC=C(C=C(NC(=O)CC)C(=C)C)NC
InChIInChI=1S/C11H18N2O/c1-6-11(14)13-10(8(2)3)7-9(4)12-5/h7,12H,2,4,6H2,1,3,5H3,(H,13,14)
InChIKeyYLULWIKAUDBYAQ-UHFFFAOYSA-N
XLogP1.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(methylamino)hexa-1,3,5-trien-3-yl]propanamide?
The IUPAC name of N-[2-methyl-5-(methylamino)hexa-1,3,5-trien-3-yl]propanamide (CID 177002203) is N-[2-methyl-5-(methylamino)hexa-1,3,5-trien-3-yl]propanamide.
What is the SMILES notation for N-[2-methyl-5-(methylamino)hexa-1,3,5-trien-3-yl]propanamide?
The canonical SMILES for N-[2-methyl-5-(methylamino)hexa-1,3,5-trien-3-yl]propanamide is C=C(C=C(NC(=O)CC)C(=C)C)NC.
What is the InChIKey of N-[2-methyl-5-(methylamino)hexa-1,3,5-trien-3-yl]propanamide?
The InChIKey is YLULWIKAUDBYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-6-11(14)13-10(8(2)3)7-9(4)12-5/h7,12H,2,4,6H2,1,3,5H3,(H,13,14).
What are the key properties of N-[2-methyl-5-(methylamino)hexa-1,3,5-trien-3-yl]propanamide?
N-[2-methyl-5-(methylamino)hexa-1,3,5-trien-3-yl]propanamide has a molecular weight of 194.28 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(methylamino)hexa-1,3,5-trien-3-yl]propanamide is sourced from PubChem (CID 177002203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).